chempirical

2,3,5,6-Tetrafluorobenzonitrile

C7HF4NCAS 5216-17-1175.09 g/mol

Open in Covalent MOL file
FFNFF
Aryl halideNitrile

Properties

Molecular formula
C7HF4N
Molar mass
175.09 g/mol
Exact mass
175.0045 Da
logP
2.11Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5216-17-1
SMILES
C1=C(C(=C(C(=C1F)F)C#N)F)F
InChIKey
IOQMWOBRUDNEOA-UHFFFAOYSA-N
InChI
InChI=1S/C7HF4N/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1H

Weigh it out

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Work with 2,3,5,6-Tetrafluorobenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,6-Trifluorobenzonitrile136514-17-567 % similar Tetrafluoroterephthalonitrile1835-49-065 % similar 2,4,6-Trifluorobenzene-1,3,5-tricarbonitrile3638-97-965 % similar 3,4,5-Trifluorobenzonitrile134227-45-563 % similar Pentafluorobenzonitrile773-82-062 % similar 2,4,5,6-Tetrafluoroisophthalonitrile2377-81-359 % similar 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile1835-65-055 % similar 2,3,5-Trifluorobenzonitrile241154-09-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3,4,5-Tetrafluorobenzonitrile16582-93-7

Elsewhere

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